N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 582964
• 分子式: C16H16N4O2
• 平均质量: 296.32384
• 单一同位素质量: 296.12732577
• SMILES: c1(nc2n(c1)cccc2C)C(=O)Nn1c(=O)cc(cc1C)C
• Canonical SMILES: Cc1cc(C)n(c(=O)c1)NC(=O)c1nc2n(c1)cccc2C
• InChI: InChI=1S/C16H16N4O2/c1-10-7-12(3)20(14(21)8-10)18-16(22)13-9-19-6-4-5-11(2)15(19)17-13/h4-9H,1-3H3,(H,18,22)
• InChIKey: CQLOCYHVVJDBPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-(2,4-dimethyl-6-oxopyridin-1-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-(4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

Provided by Chembridge

• Log P: 1.4
• LOG S: -4.25
• 极化表面积: 68.4 Å^2
• 可自由旋转的化学键: 2
• 质子受体: 4
• 质子供体: 1

JChem

• 摩尔折射率: 86.2304 cm^3
• 极化性: 30.793474 Å^3
• 极化表面积: 66.71 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true
• Acid pKa: 12.075513
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.4052292
• LogD (pH = 7.4): 1.4124945
• Log P: 1.4125962